1-butyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(4-oxo-4-phenyl-butyl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-oxo-4-phenylbutyl)thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(4-oxo-4-phenylbutyl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-keto-4-phenyl-butyl)thio]benzimidazole-5-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-2-3-13-24-19-12-11-17(29(22,26)27)15-18(19)23-21(24)28-14-7-10-20(25)16-8-5-4-6-9-16/h4-6,8-9,11-12,15H,2-3,7,10,13-14H2,1H3,(H2,22,26,27)